SCHEMBL11147216

SCHEMBL11147216

CCn1nc(Br)c(=O)c2cc(Cl)c(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.43
▸ ADORA2B P29275 2/20 0.43
▸ LMNA P02545 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ BLM P54132 2/20 0.41
▸ PMP22 Q01453 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPK8 P45983 3/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ GRIA1 P42261 1/20 0.36
▸ GRIA2 P42262 1/20 0.36
▸ GRIA3 P42263 1/20 0.36
▸ GRIA4 P48058 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11150628 0.80 TSHR (0.64) ADORA2AADORA2BLMNATSHRBLM
SCHEMBL11143530 0.80 ALDH1A1 (0.51) ADORA2AADORA2BLMNATSHRBLM
SCHEMBL11152305 0.80 ADORA2A (0.38) ADORA2AADORA2BLMNATSHRBLM
SCHEMBL11154687 0.74 LMNA (0.46) LMNATSHRBLMPMP22KDM4E
SCHEMBL11146995 0.73 MAPT (0.50) LMNAMEN1KMT2ACYP1A2RAB9A
SCHEMBL11221088 0.70 TSHR (0.59) ADORA2AADORA2BLMNATSHRBLM
SCHEMBL31581725 0.69 ADORA2A (0.42) ADORA2AADORA2BLMNAESR1
SCHEMBL11148605 0.67 ALDH1A1 (0.55) LMNATSHRBLMPMP22KDM4E
SCHEMBL9042883 0.66 LMNA (0.42) ADORA2AADORA2BLMNATSHRBLM
SCHEMBL9043059 0.66 MAPK8 (0.53) LMNATSHRKDM4EALDH1A1MAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4379929-A BACTERIOSTATS ELI LILLY AND COMPANY (US) 1983-04-12 — — US disclosed
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